Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.48 |
| ▸ | WNT3A | P56704 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27553735 | 0.95 | NPC1 (0.55) | ESR1MAOASTS | |
| SCHEMBL28756834 | 0.90 | ESR1 (0.55) | ESR1LMNACYP1A2TSHRCYP2C19 | |
| SCHEMBL31094660 | 0.85 | MAOA (0.67) | ESR1CYP1A2CYP2C19MAPK1SMN1; SMN2 | |
| SCHEMBL1222893 | 0.85 | MAOA (0.67) | ESR1CYP1A2CYP2C19MAPK1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28263903 | 0.84 | MAOA (0.65) | CYP1A2CYP2C19MAPK1SMN1; SMN2CYP3A4 | |
| SCHEMBL709064 | 0.82 | ESR1 (0.67) | ESR1LMNACYP1A2TSHRCYP2C19 | |
| SCHEMBL14398520 | 0.82 | TAS1R3 (0.49) | CYP1A2CYP2C19CYP2D6CYP3A4MAOA | |
| SCHEMBL4768975 | 0.81 | HDAC1 (0.47) | CYP1A2CYP2C19CYP3A4MAOACTNNB1 | |
| SCHEMBL29012860 | 0.81 | ALDH1A1 (0.57) | ESR1LMNATSHRMAOAHPGD | |
| SCHEMBL16859558 | 0.81 | ESR1 (0.65) | ESR1LMNACYP1A2TSHRCYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100513392-C | Heteroaryl substituted acetone derivatives as phospholipase A2Inhibitor of (2) | MERCKLE GMBH (DE) | 2009-07-15 | — | — | CN | disclosed |
| CN-1761649-A | Novel heteroaryl substituted acetone derivatives as phospholipase A2Inhibitor of (2) | MERCKLE GMBH (DE) | 2006-04-19 | — | — | CN | disclosed |
| US-4101583-A | Alpha-methylthio-alpha-(2-aminophenyl) acetaldehyde diloweralkyl acetals | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1978-07-18 | — | — | US | disclosed |
| US-4080341-A | Carbazolenine and indole compounds | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1978-03-21 | — | — | US | disclosed |
| US-4067875-A | Certain N-phenyl or N-pyridyl aza sulfonium salts | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1978-01-10 | — | — | US | disclosed |
| US-3992392-A | Synthesis of indoles from anilines and intermediates therein | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1976-11-16 | — | — | US | disclosed |